UCSF

ZINC06420247

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 27 No

Popular Name: 5-(3,4-dichlorophenyl)-4-[hydroxy-(4-pyridyl)methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione 5-(3,4-dichlorophenyl)-4-[hydrox…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 7.22 -54.65 0 6 -1 83 406.245 6 ↓
Mid Mid (pH 6-8) 2.80 6.19 -17.79 1 6 0 80 407.253 5 ↓
Mid Mid (pH 6-8) 1.77 7.2 -10.53 0 6 0 77 407.253 6 ↓
Lo Low (pH 4.5-6) 1.77 7.48 -42.46 1 6 1 78 408.261 6 ↓
Lo Low (pH 4.5-6) 2.36 7.1 -50.47 2 6 1 81 408.261 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )